5J6O
Crystal structure of a trans-AT PKS dehydratase domain of C0ZGQ7 from Brevibacillus brevis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 63.500, 63.500, 145.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.800 - 3.195 |
R-factor | 0.2753 |
Rwork | 0.272 |
R-free | 0.30620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kg9 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.149 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10pre_2131: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.800 | 3.300 |
High resolution limit [Å] | 3.195 | 3.195 |
Rmerge | 0.062 | 0.885 |
Number of reflections | 5296 | |
<I/σ(I)> | 21.6 | 2.2 |
Completeness [%] | 95.5 | 93.1 |
Redundancy | 6.5 | 6.3 |
CC(1/2) | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 10% PEG20000, 20% PEG550MME, 0.1 M Mops/Hepes pH 7.5, 0.1 M MgCl2 |